3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine

C15H25N3O — CID 116763051

IUPAC3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)C1(OC)CCCCC1
InChIInChI=1S/C15H25N3O/c1-17-14(10-12-11-18-9-6-13(12)16)15(19-2)7-4-3-5-8-15/h6,9,11,14,17H,3-5,7-8,10H2,1-2H3,(H2,16,18)
InChIKeyIVCPCJXTLOMTCE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.14
Rot. Bonds5

About 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine

3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine (PubChem CID 116763051) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
PubChem CID116763051
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)C1(OC)CCCCC1
InChIInChI=1S/C15H25N3O/c1-17-14(10-12-11-18-9-6-13(12)16)15(19-2)7-4-3-5-8-15/h6,9,11,14,17H,3-5,7-8,10H2,1-2H3,(H2,16,18)
InChIKeyIVCPCJXTLOMTCE-UHFFFAOYSA-N
XLogP2.14
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine
CID 79066965
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769462
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine (CID 116763051) is 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine is CNC(Cc1cnccc1N)C1(OC)CCCCC1.
What is the InChIKey of 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine?
The InChIKey is IVCPCJXTLOMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-14(10-12-11-18-9-6-13(12)16)15(19-2)7-4-3-5-8-15/h6,9,11,14,17H,3-5,7-8,10H2,1-2H3,(H2,16,18).
What are the key properties of 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine?
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 116763051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).